benzimidazol-2-one;hydrate

C7H6N2O2 — CID 70570611

IUPACbenzimidazol-2-one;hydrate
SMILESO.O=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2O.H2O/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H;1H2
InChIKeyGMGJLRLNJUPRNA-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.77
Rot. Bonds

About benzimidazol-2-one;hydrate

benzimidazol-2-one;hydrate (PubChem CID 70570611) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is benzimidazol-2-one;hydrate.

Molecular Properties

Compound Namebenzimidazol-2-one;hydrate
PubChem CID70570611
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Namebenzimidazol-2-one;hydrate
SMILESO.O=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2O.H2O/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H;1H2
InChIKeyGMGJLRLNJUPRNA-UHFFFAOYSA-N
XLogP-0.77
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzimidazol-2-one;hydrate?
The IUPAC name of benzimidazol-2-one;hydrate (CID 70570611) is benzimidazol-2-one;hydrate.
What is the SMILES notation for benzimidazol-2-one;hydrate?
The canonical SMILES for benzimidazol-2-one;hydrate is O.O=C1N=c2ccccc2=N1.
What is the InChIKey of benzimidazol-2-one;hydrate?
The InChIKey is GMGJLRLNJUPRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O.H2O/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H;1H2.
What are the key properties of benzimidazol-2-one;hydrate?
benzimidazol-2-one;hydrate has a molecular weight of 150.14 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-2-one;hydrate is sourced from PubChem (CID 70570611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).